%chk=000078608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078608

0 1
 O    3.074700      -1.578900       1.487200    
 O   -3.074200      -1.630500      -1.433900    
 O    2.549700      0.4325000       2.505900    
 O   -2.551500      0.3466000      -2.518900    
 N    2.556400     -0.5111000      -1.208300    
 N   -2.557700     -0.4703000       1.224600    
 C  -0.1540000     -0.4658000       1.476000    
 C   0.1529000     -0.5146000      -1.459400    
 C    1.359000     -0.4990000     -0.5424000    
 C   -1.360100     -0.4813000      0.5590000    
 C    1.186300     -0.4767000      0.7936000    
 C   -1.187300     -0.5034000     -0.7771000    
 C    2.342000     -0.4614000       1.708000    
 C   -2.343000     -0.5201000      -1.691700    
 C    3.578500      0.4393000      -1.164100    
 C   -3.578900      0.4790000       1.148800    
 C    4.904100      4.7499999E-02  -1.352100    
 C   -4.904900      9.5100001E-02   1.349300    
 C    3.274100       1.780500     -0.9314000    
 C   -3.273000       1.811600      0.8721000    
 C    4.240800      -1.709800       2.306800    
 C   -4.239900      -1.790200      -2.248900    
 C    5.925100      0.9968000      -1.307200    
 C   -5.924900       1.043400       1.272900    
 C    4.295100       2.729800     -0.8868000    
 C   -4.293100       2.759900      0.7958000    
 C    5.620600       2.337900      -1.074600    
 C   -5.619000       2.375700      0.9963000    
 C    4.952800      -2.997000       1.949300    
 C   -4.950400      -3.065600      -1.848800    
 H  -0.2095000      -1.339400       2.139300    
 H  -0.2154000      0.4291000       2.109800    
 H   0.2088000      -1.409800      -2.093300    
 H   0.2139000      0.3587000      -2.122700    
 H    2.611100      -1.149500      -1.996000    
 H   -2.613000      -1.082100       2.033100    
 H    5.153200     -0.9952000      -1.531700    
 H   -5.155200     -0.9410000       1.563300    
 H    2.249300       2.114500     -0.7907000    
 H   -2.247900       2.139800      0.7207000    
 H    4.907200     -0.8576000       2.132300    
 H    3.945500      -1.730500       3.361800    
 H   -3.944400      -1.845800      -3.302600    
 H   -4.907400     -0.9333000      -2.103100    
 H    6.957200      0.6916000      -1.452600    
 H   -6.957300      0.7442000       1.428100    
 H    4.058200       3.774500     -0.7076000    
 H   -4.055100       3.797800      0.5822000    
 H    6.415500       3.077100      -1.040000    
 H   -6.413100       3.114200      0.9370000    
 H    5.851500      -3.129100       2.558000    
 H    5.238200      -2.997700      0.8920000    
 H    4.292800      -3.857400       2.100800    
 H   -5.848900      -3.219100      -2.453000    
 H   -5.236100      -3.031400     -0.7923000    
 H   -4.289200      -3.929800      -1.971400    


%chk=000078608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078608

0 1
O 3.002427 -1.063969 1.273416
O -3.001866 -1.106090 -1.239393
O 1.802055 -0.194605 3.074461
O -1.791211 -0.308048 -3.066114
N 2.489788 0.252786 -1.323740
N -2.488189 0.289130 1.314178
C -0.144294 0.980494 1.348704
C 0.144485 0.937391 -1.380060
C 1.353631 0.494198 -0.556328
C -1.352686 0.509213 0.539457
C 1.171442 0.420383 0.818322
C -1.170275 0.391899 -0.832238
C 2.000902 -0.255519 1.822947
C -1.996401 -0.320458 -1.814144
C 3.872946 0.409179 -1.032167
C -3.871808 0.434831 1.019090
C 4.807181 -0.192146 -1.916774
C -4.804369 -0.141919 1.921665
C 4.346655 1.212279 0.037763
C -4.347439 1.205496 -0.073573
C 3.862017 -1.791788 2.250416
C -3.851303 -1.876607 -2.192518
C 6.192158 0.000659 -1.730575
C -6.189764 0.043138 1.731013
C 5.732239 1.399605 0.214515
C -5.733459 1.385664 -0.254374
C 6.666365 0.795012 -0.660972
C -6.665923 0.805315 0.639082
C 4.860290 -2.606296 1.432862
C -4.875365 -2.633501 -1.351723
H -0.239976 0.697683 2.413039
H -0.133701 2.092935 1.332640
H 0.240827 0.620946 -2.434800
H 0.131548 2.049747 -1.398922
H 2.293369 0.042699 -2.305901
H -2.290963 0.109447 2.302208
H 4.447295 -0.819611 -2.741998
H -4.442792 -0.744762 2.764311
H 3.637886 1.693165 0.717783
H -3.639730 1.667083 -0.767879
H 4.358159 -1.049346 2.902108
H 3.212863 -2.423030 2.884375
H -3.197259 -2.549963 -2.776346
H -4.324115 -1.166698 -2.895634
H 6.899471 -0.472853 -2.420620
H -6.895881 -0.411334 2.434947
H 6.084800 2.026052 1.041764
H -6.087711 1.987137 -1.099238
H 7.741252 0.944035 -0.514427
H -7.741153 0.948407 0.489146
H 5.529445 -3.167514 2.110950
H 5.475315 -1.946666 0.797497
H 4.338026 -3.328978 0.782319
H -5.538887 -3.222738 -2.011331
H -5.493362 -1.933006 -0.764863
H -4.374854 -3.325863 -0.652928


